epsilon-carotene

Properties Image MNX_ID MNXM7341 reference metacycM:CPD-7414 formula C40H56 global charge 0 mol weight 536.888 InChIKey QABFXOMOOYWZLZ-GDBZIMIPSA-N InChI InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28,37-38H,15-16,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-,38-/m0/s1 SMILES CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C MNX internals InChI (mnx) InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28,37-38H,15-16,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-,38-/m0/s1 SMILES (mnx) [CH3:1][C:31](=[CH:17]\[CH:11]=[CH:12]\[CH:18]=[C:32]([CH3:2])\[CH:20]=[CH:14]\[CH:22]=[C:34]([CH3:4])\[CH:26]=[CH:28]\[C@H:38]1[C:36]([CH3:6])=[CH:24][CH2:16][CH2:30][C:40]1([CH3:9])[CH3:10])/[CH:19]=[CH:13]/[CH:21]=[C:33]([CH3:3])/[CH:25]=[CH:27]/[C@H:37]1[C:35]([CH3:5])=[CH:23][CH2:15][CH2:29][C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1